Geometry & MOs

Info

ID:	154733
PubChem CID:	56314248
Reduced:	FO2N4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	447.224595
ΔH_f, kcal/mol:	11.85
Dipole, Da:	4.25
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations